Machine Learning-Based Modeling of Drug Toxicity
文献类型：期刊论文
| 作者 | Lu, Jing1; Lu, Dong2; Fu, Zunyun2; Zheng, Mingyue2 ; Luo, Xiaomin2
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| 刊名 | Methods in molecular biology (Clifton, N.J.)
 |
| 出版日期 | 2018 |
| 卷号 | 1754页码:247-264 |
| ISSN号 | 1940-6029 |
| DOI | 10.1007/978-1-4939-7717-8_15 |
| 文献子类 | Article |
| 英文摘要 | Toxicity is an important reason for the failure of drug research and development (R&D). The traditional experimental testings for chemical toxicity profile are costly and time-consuming. Therefore, it is attractive to develop the effective and accurate alternatives, such as in silico prediction models. In this review, we discuss the practical use of some prediction models on three toxicity end points, including acute toxicity, carcinogenicity, and inhibition of the human ether-a-go-go-related gene ion channel (hERG). Special emphasis is put on the machine learning methods for developing in silico models, and their advantages and weaknesses are discussed. We conclude that machine learning methods are valuable for helping the process of designing new candidates with low toxicity in drug R&D studies. In the future, much still needs to be done to understand more completely the biological mechanisms for toxicity and to develop more accurate prediction models to screen compounds. |
| 语种 | 英语 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/266805]  |
| 专题 | 药物发现与设计中心 |
| 通讯作者 | Lu, Jing |
| 作者单位 | 1.School of Pharmacy, Key Laboratory of Molecular Pharmacology and Drug Evaluation (Yantai University), Ministry of Education, Collaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of Shandong, Yantai University, Yantai, China; 2.Drug Discovery and Design Center, State Key Laboratory of Drug Research, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, China |
| 推荐引用方式 GB/T 7714 | Lu, Jing,Lu, Dong,Fu, Zunyun,et al. Machine Learning-Based Modeling of Drug Toxicity[J]. Methods in molecular biology (Clifton, N.J.),2018,1754:247-264. |
| APA | Lu, Jing,Lu, Dong,Fu, Zunyun,Zheng, Mingyue,&Luo, Xiaomin.(2018).Machine Learning-Based Modeling of Drug Toxicity.Methods in molecular biology (Clifton, N.J.),1754,247-264. |
| MLA | Lu, Jing,et al."Machine Learning-Based Modeling of Drug Toxicity".Methods in molecular biology (Clifton, N.J.) 1754(2018):247-264. |
入库方式： OAI收割
来源：上海药物研究所
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